Tiotropium EP Impurity C
TL;DR: Tiotropium EP Impurity C (CAS 136310-95-7) is a chemical compound with molecular formula C19H22BrNO3S2 and molecular weight 455.02246 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(8,8-dimethyl-8-azoniabicyclo[3.2.1]oct-6-en-3-yl) 2-hydroxy-2,2-dithiophen-2-ylacetate bromide
Also Known As: Tiotropium EP Impurity C, 3-(2-Hydroxy-2,2-di(thiophen-2-yl)acetoxy)-8,8-dimethyl-8-azabicyclo[3.2.1]oct-6-en-8-ium bromide, (8,8-dimethyl-8-azoniabicyclo[3.2.1]oct-6-en-3-yl) 2-hydroxy-2,2-dithiophen-2-ylacetate;bromide, 3-{[2-HYDROXY-2,2-BIS(THIOPHEN-2-YL)ACETYL]OXY}-8,8-DIMETHYL-8-AZABICYCLO[3.2.1]OCT-6-EN-8-IUM BROMIDE, (8,8-dimethyl-8-azoniabicyclo[3.2.1]oct-6-en-3-yl) 2-hydroxy-2,2-dithiophen-2-yl-acetate Bromide
Technical Specifications
| Molecular Formula | C19H22BrNO3S2 |
| Molecular Weight | 455.02246 g/mol |
| XLogP | 0.1385 |
| Topological Polar Surface Area (TPSA) | 103.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 455.02246 Da |
| Heavy Atoms | 26 |
| Complexity | 531.0 |
| SMILES | C[N+]1(C2CC(CC1C=C2)OC(=O)C(C3=CC=CS3)(C4=CC=CS4)O)C.[Br-] |
| InChIKey | XEHSFNAAROJFIZ-UHFFFAOYSA-M |
Chemical Property Profile of Tiotropium EP Impurity C
Property Insights of Tiotropium EP Impurity C
The XLogP value of 0.1385 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Tiotropium EP Impurity C. The TPSA of 103.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Tiotropium EP Impurity C. Following Lipinski's Rule of Five, Tiotropium EP Impurity C has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Tiotropium EP Impurity C?
The CAS number of Tiotropium EP Impurity C is 136310-95-7.
What is the molecular formula of Tiotropium EP Impurity C?
The molecular formula of Tiotropium EP Impurity C is C19H22BrNO3S2.
What is the molecular weight of Tiotropium EP Impurity C?
The molecular weight of Tiotropium EP Impurity C is 455.02246 g/mol.
Where can I buy Tiotropium EP Impurity C?
You can request a quote for Tiotropium EP Impurity C directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Tiotropium EP Impurity C?
Yes, CoreyChem provides custom synthesis services for Tiotropium EP Impurity C and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.